SCHEMBL13653252

SCHEMBL13653252

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NC(=O)Nc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TRPV1 Q8NER1 8/20 0.48
HDAC1 Q13547 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4197796 0.95 HDAC3 (0.50) NPSR1TAS1R3TAS1R1TRPV1HDAC1
SCHEMBL13653256 0.89 HDAC1 (0.50) NPSR1TAS1R3TAS1R1KMT2ATRPV1
SCHEMBL4183959 0.89 TRPV1 (0.49) NPSR1TAS1R3TAS1R1RAB9ATRPV1
SCHEMBL13653257 0.89 TAS1R3 (0.56) NPSR1TAS1R3TAS1R1RAB9ATRPV1
SCHEMBL4190602 0.89 HDAC1 (0.54) KMT2AMEN1TRPV1HDAC1HDAC3
SCHEMBL4185425 0.88 KMT2A (0.58) NPSR1TAS1R3TAS1R1RAB9AKMT2A
SCHEMBL4193646 0.87 ALDH1A1 (0.48) KMT2AMEN1TRPV1HDAC1HDAC3
SCHEMBL4191003 0.87 HDAC1 (0.52) NPSR1TAS1R3TAS1R1TRPV1HDAC1
SCHEMBL13653250 0.86 KMT2A (0.58) TAS1R3TAS1R1RAB9AKMT2ATRPV1
SCHEMBL4190658 0.86 HDAC1 (0.50) TRPV1HDAC1HDAC3HDAC2HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 NPSR1 1789/4885TAS1R3 4090/4885TAS1R1 3516/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.